Compound Detail
CHEMBL268596
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COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)C(C)(C)C)C2)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL268596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXIGZIXGNMVVFJ-UHFFFAOYSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
588.6
MW (Da)
3.29
ALogP
10
HBA
0
HBD
122.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
EC50 3 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 7.0 | 6.9733 | 100.0 | 3 |
| Platelet-activating factor receptor CHEMBL5136 | EC50 | 6.52 | 6.4733 | 300.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 100.0 | nM | 7.0 | Inhibition of PAF-induced rabbit platelet aggregation | 8478911 |
| Platelet-activating factor receptor | IC50 | = | 100.0 | nM | 7.0 | Inhibition of PAF-induced rabbit platelet aggregation | 8478911 |
| Oryctolagus cuniculus | IC50 | = | 100.0 | nM | 7.0 | Inhibition of PAF-induced platelet aggregation was determined using platelet ric... | 10841793 |
| Platelet-activating factor receptor | IC50 | = | 120.0 | nM | 6.92 | Inhibition of PAF-induced rabbit platelet aggregation | 8478911 |
| Platelet-activating factor receptor | EC50 | = | 300.0 | nM | 6.52 | Inhibition of [3H]PAF binding to rabbit platelet membrane | 8478911 |
| Platelet-activating factor receptor | EC50 | = | 300.0 | nM | 6.52 | Inhibition of [3H]PAF binding to rabbit platelet membrane | 8478911 |
| Platelet-activating factor receptor | EC50 | = | 420.0 | nM | 6.38 | Inhibition of [3H]PAF binding to rabbit platelet membrane | 8478911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8478911 | 10.1021/jm00060a006 | Platelet-activating factor receptor | 6 |
| 10841793 | 10.1021/jm9911276 | Human immunodeficiency virus 1 | 2 |
| 10841793 | 10.1021/jm9911276 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine